Vitas-M small molecule compound

methyl 5-[(4-nitrophenyl)amino]-5-oxopentanoate

Catalog ID
STK247407
SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C12H14N2O5 MW 266.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O5/c1-19-12(16)4-2-3-11(15)13-9-5-7-10(8-6-9)14(17)18/h5-8H,2-4H2,1H3,(H,13,15)
InChIKey
NUVFURVLBHSEDZ-UHFFFAOYSA-N
Synonyms
121409-84-5
121409845
COC(=O)CCCC(=O)NC1=CC=C(C=C1)(N+)(=O)(O)
COC(=O)CCCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC12H14N2O5c11912(16)42311(15)1395710(869)14(17)18h58H24H21H3(H1315)
METHYL5((4NITROPHENYL)AMINO)5OXOPENTANOATE
METHYL5(4NITROANILINO)5OXOPENTANOATE
MFCD00433309
ZINC000004593063
ZINC04593063
ZINC4593063

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.